SC 53116   Click here for help

GtoPdb Ligand ID: 238

Synonyms: SC-53116 | SC53116
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 67.59
Molecular weight 323.14
XLogP 1.92
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1cc(N)c(cc1C(=O)NCC1CCN2C1CCC2)Cl
Isomeric SMILES COc1cc(N)c(cc1C(=O)NC[C@@H]1CCN2[C@H]1CCC2)Cl
InChI InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-9-10-4-6-20-5-2-3-14(10)20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)/t10-,14-/m0/s1
InChI Key GAYSOZKZPOVDSB-HZMBPMFUSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-amino-5-chloro-N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]-2-methoxybenzamide
Synonyms Click here for help
SC-53116 | SC53116
Database Links Click here for help
BindingDB Ligand 50005833
ChEMBL Ligand CHEMBL34291
GtoPdb PubChem SID 135651022
PubChem CID 132337
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Search Google for chemicals with the same backbone GAYSOZKZPOVDSB
Search UniChem for chemical match using the InChIKey GAYSOZKZPOVDSB-HZMBPMFUSA-N
Search UniChem for chemicals with the same backbone GAYSOZKZPOVDSB